SCHEMBL16845396

SCHEMBL16845396

CC1(C)[C@@H](CNc2cc(F)ccc2OC(F)(F)F)[C@@H]1c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.37
▸ SOS1 Q07889 1/20 0.37
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ TNNI3K Q59H18 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ IDH1 O75874 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16820012 1.00 CHRNA7 (0.37) CHRNA7SOS1SLC6A4SLC6A3RORC
SCHEMBL16845482 0.89 CA1 (0.42) CHRNA7SOS1CA1CA2ACHE
SCHEMBL15556891 0.89 CA1 (0.42) CHRNA7SOS1CA1CA2ACHE
SCHEMBL16845535 0.89 CHRNA7 (0.38) CHRNA7SOS1CA1CA2ACHE
SCHEMBL20707901 0.86 — —
SCHEMBL16819954 0.83 SOS1 (0.41) CHRNA7SOS1CA1CA2ALDH1A1
SCHEMBL16819992 0.83 SOS1 (0.41) CHRNA7SOS1CA1CA2ALDH1A1
SCHEMBL16845431 0.83 CA2 (0.38) CHRNA7SOS1SLC6A4SLC6A3CA1
SCHEMBL16819897 0.83 CA2 (0.38) CHRNA7SOS1SLC6A4SLC6A3CA1
SCHEMBL16819946 0.83 SOS1 (0.41) CHRNA7SOS1CA1CA2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 — — EP disclosed
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 — — US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — US disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I CHRNA7, CHRNA5, CHRNA6 CHRNA7 1/4885SOS1 4309/4885SLC6A4 1022/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 CHRNA7 1/4885SOS1 4266/4885SLC6A4 1021/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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